CID 3040747

Brn 1171530

Structural Information

Molecular Formula

C₂₂H₂₄FN₃O₂

SMILES

CN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-24-21(17-7-9-18(23)10-8-17)20(28-22(24)27)11-12-25-13-15-26(16-14-25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3

InChIKey

GHABTHQYUUAJRB-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 381.18524 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.192516	193.5
[M+Na]+	404.174458	200.9
[M-H]-	380.177964	201.3
[M+NH4]+	399.219063	201.0
[M+K]+	420.148398	194.8
[M+H-H2O]+	364.182500	180.4
[M+HCOO]-	426.183441	208.5
[M+CH3COO]-	440.199091	202.1
[M+Na-2H]-	402.159906	191.7
[M]+	381.18469142	191.5
[M]-	381.18578858	191.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.